An Examination of the Fragmentation Rules in Organic Mass Spectrometry by MO Methods. I. : Ethylamine as a Model Compound for the α-Cleavage
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概要
- 論文の詳細を見る
The electronic structures of ethylamine and the related species have been calculated by means of the INDO method to examine the scope and limitations of the so-called fragmentation rules in organic mass spectrometry. Both the unpaired electron in the molecular ion and stabilization by the conjugation in the reaction transition state are confirmed to play important roles in fragmentation reactions. Localized MO representation of the reaction transition states and applicability of bond indices are also discussed.
- 日本質量分析学会の論文
著者
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KONISHI HIDEYUKI
Department of Gastroenterology Kyoto Prefectural Yosano-umi Hospital
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NAKATA Hisao
Department of Chemistry, Aichi Kyoiku University
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Nakata Hisao
Department Of Chemistry Aichi Kyoiku University
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Konishi Hideyuki
Department of Chemistry, Aichi Kyoiku University
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